[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone

C14H14F3N3O — CID 166556344

IUPAC[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc2c(C(F)(F)F)cc(C(=O)N3CCCC3)cc2[nH]1
InChIInChI=1S/C14H14F3N3O/c1-8-18-11-7-9(13(21)20-4-2-3-5-20)6-10(12(11)19-8)14(15,16)17/h6-7H,2-5H2,1H3,(H,18,19)
InChIKeyJXVANGVTYPQQAR-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.13
Rot. Bonds1

About [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone

[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 166556344) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID166556344
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc2c(C(F)(F)F)cc(C(=O)N3CCCC3)cc2[nH]1
InChIInChI=1S/C14H14F3N3O/c1-8-18-11-7-9(13(21)20-4-2-3-5-20)6-10(12(11)19-8)14(15,16)17/h6-7H,2-5H2,1H3,(H,18,19)
InChIKeyJXVANGVTYPQQAR-UHFFFAOYSA-N
XLogP3.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone (CID 166556344) is [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone is Cc1nc2c(C(F)(F)F)cc(C(=O)N3CCCC3)cc2[nH]1.
What is the InChIKey of [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JXVANGVTYPQQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-8-18-11-7-9(13(21)20-4-2-3-5-20)6-10(12(11)19-8)14(15,16)17/h6-7H,2-5H2,1H3,(H,18,19).
What are the key properties of [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 297.28 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 166556344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).